SCHEMBL28612609

SCHEMBL28612609

COc1cc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)ccc1OCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ DRD2 P14416 11/20 0.49
▸ HTR2A P28223 7/20 0.49
▸ HTR1A P08908 4/20 0.49
▸ DRD3 P35462 5/20 0.46
▸ FAAH O00519 1/20 0.46
▸ MCHR1 Q99705 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.44
▸ GAA P10253 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29675340 1.00 LMNA (0.51) LMNASMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL29675186 0.93 SMN1; SMN2 (0.61) LMNASMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL28921613 0.93 SMN1; SMN2 (0.61) LMNASMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL29675345 0.92 DRD2 (0.51) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL28615753 0.92 DRD2 (0.51) DRD2HTR2AHTR1ADRD3FAAH
SCHEMBL29675111 0.92 DRD2 (0.53) LMNADRD2HTR2AHTR1ADRD3
SCHEMBL28629153 0.92 DRD2 (0.53) LMNADRD2HTR2AHTR1ADRD3
SCHEMBL29675359 0.91 DRD2 (0.51) LMNASMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL28617986 0.91 DRD2 (0.55) LMNASMN1; SMN2DRD2HTR2AHTR1A
SCHEMBL28624565 0.91 DRD2 (0.52) LMNADRD2HTR2AHTR1ADRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292515-B Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2022-05-20 — — CN claimed
CN-113292515-A Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2021-08-24 — — CN claimed
CN-113292515-B Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2022-05-20 — — CN disclosed
CN-113292515-A Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2021-08-24 — — CN disclosed
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